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cond-mat.mtrl-sci2024★ 2 cited
Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach
Weiyi Gong, Tao Sun, Hexin Bai +3
Predicting electronic band structures from crystal structures is crucial for understanding structure-property correlations in materials science. First-principles approaches are acc…
cond-mat.mtrl-sci2024
Symmetry-guided data-driven discovery of native quantum defects in two-dimensional materials
Jeng-Yuan Tsai, Weiyi Gong, Qimin Yan
Drawing on their atomically thin structure, two-dimensional (2D) materials present a groundbreaking avenue for the precision fabrication and systematic manipulation of quantum defe…